SCHEMBL14766637

SCHEMBL14766637

CCCCOc1ccc(COC2CCC(c3ccc(-c4ccc(OCCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.37
PPARD Q03181 3/20 0.37
NAAA Q02083 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
FAAH O00519 1/20 0.34
SCN9A Q15858 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
FPR2 P25090 1/20 0.33
S1PR1 P21453 1/20 0.33
DRD4 P21917 2/20 0.33
PPARA Q07869 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTPN11 Q06124 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14766846 0.98 NAAA (0.38) FFAR1PPARDNAAARARARARB
SCHEMBL14766989 0.95 NAAA (0.37) FFAR1PPARDNAAARARARARB
SCHEMBL14766598 0.94 PPARD (0.37) FFAR1PPARDNAAAFFAR4ALOX5AP
SCHEMBL14767003 0.93 PPARD (0.38) FFAR1PPARDNAAAFFAR4ALOX5AP
SCHEMBL14766852 0.92 GABRA1 (0.36) FFAR1PPARDNAAARARARARB
SCHEMBL12740337 0.92 SIGMAR1 (0.40) FFAR1PPARDNAAAFFAR4SCN9A
SCHEMBL14766954 0.92 GABRA1 (0.35) FFAR1PPARDNAAARARARARB
SCHEMBL14766567 0.90 PPARD (0.39) FFAR1PPARDNAAAFFAR4ALOX5AP
SCHEMBL14766979 0.90 FFAR1 (0.41) FFAR1PPARDNAAAFFAR4DRD4
SCHEMBL12740338 0.89 SIGMAR1 (0.40) NAAAFFAR4GABRA1GABRB2SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed